ChemSpider 2D Image | 5-{(Z)-[3-(11,11-Dihydroxy-10-undecen-1-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-6-(2,6-dimethyl-4-morpholinyl)-1-ethyl-4-methyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile | C30H42N4O5S2

5-{(Z)-[3-(11,11-Dihydroxy-10-undecen-1-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-6-(2,6-dimethyl-4-morpholinyl)-1-ethyl-4-methyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile

  • Molecular FormulaC30H42N4O5S2
  • Average mass602.808 Da
  • Monoisotopic mass602.259644 Da
  • ChemSpider ID95748661

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3-Pyridinecarbonitrile, 5-[(Z)-[3-(11,11-dihydroxy-10-undecen-1-yl)-4-oxo-2-thioxo-5-thiazolidinylidene]methyl]-6-(2,6-dimethyl-4-morpholinyl)-1-ethyl-1,2-dihydro-4-methyl-2-oxo- [ACD/Index Name]
5-{(Z)-[3-(11,11-Dihydroxy-10-undecen-1-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-yliden]methyl}-6-(2,6-dimethyl-4-morpholinyl)-1-ethyl-4-methyl-2-oxo-1,2-dihydro-3-pyridincarbonitril [German] [ACD/IUPAC Name]
5-{(Z)-[3-(11,11-Dihydroxy-10-undecen-1-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-6-(2,6-dimethyl-4-morpholinyl)-1-ethyl-4-methyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile [ACD/IUPAC Name]
5-{(Z)-[3-(11,11-Dihydroxy-10-undécén-1-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidène]méthyl}-6-(2,6-diméthyl-4-morpholinyl)-1-éthyl-4-méthyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 637.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 107.8±6.0 kJ/mol
Flash Point: 339.0±34.3 °C
Index of Refraction: 1.633
Molar Refractivity: 164.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 4.75
ACD/LogD (pH 5.5): 3.64
ACD/BCF (pH 5.5): 344.11
ACD/KOC (pH 5.5): 2277.05
ACD/LogD (pH 7.4): 3.64
ACD/BCF (pH 7.4): 343.41
ACD/KOC (pH 7.4): 2272.38
Polar Surface Area: 175 Å2
Polarizability: 65.3±0.5 10-24cm3
Surface Tension: 66.8±5.0 dyne/cm
Molar Volume: 461.6±5.0 cm3

Click to predict properties on the Chemicalize site


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